>compound Homogentisic acid_Homogentisic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C8H8O4
#smiles OC(=O)Cc(c1)c(O)ccc(O)1
#RECORD LC-ESI-QTOF_train_data/PR100707.txt
>charge -1
>ionization [M-H]-
>parentmass 167.03446

>collision 5-60
108.0212 94.37
122.0368 283.2
123.0444 480.4
167.0345 43.06

